HRID124968

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8471

Triethylamine

C6H15N

HCID14537079

Methyl 4-[(tert-butoxycarbonyl)amino]piperidine-4-carboxylate

C12H22N2O4

结构：Cc1ccc(S(=O)(=O)n2cc(Br)c3c(Cl)ncnc32)cc1

HCID57750282

未命名化合物

PRODUCTS

生成物

结构：COC(=O)C1(NC(=O)OC(C)(C)C)CCN(c2ncnc3c2c(Br)cn3S(=O)(=O)c2ccc(C)cc2)CC1

HCID57750316

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1e07ae46f1764d55b6993fd59e938e8d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[Br:8][c:9]1[cH:10][n:11]([S:19](=[O:20])(=[O:21])[c:22]2[cH:23][cH:24][c:25]([CH3:26])[cH:27][cH:28]2)[c:12]2[n:13][cH:14][n:15][c:16]([Cl:18])[c:17]12.[C:29]([CH3:30])([CH3:31])([CH3:32])[O:33][C:34](=[O:35])[NH:36][C:37]1([C:43](=[O:44])[O:45][CH3:46])[CH2:38][CH2:39][NH:40][CH2:41][CH2:42]1.[CH3:1][CH2:2][N:3]([CH2:4][CH3:5])[CH2:6][CH3:7]>>[Br:8][c:9]1[cH:10][n:11]([S:19](=[O:20])(=[O:21])[c:22]2[cH:23][cH:24][c:25]([CH3:26])[cH:27][cH:28]2)[c:12]2[n:13][cH:14][n:15][c:16]([N:40]3[CH2:39][CH2:38][C:37]([NH:36][C:34]([O:33][C:29]([CH3:30])([CH3:31])[CH3:32])=[O:35])([C:43](=[O:44])[O:45][CH3:46])[CH2:42][CH2:41]3)[c:17]12